Basic information
- CAS
143-25-9- Standard SMILES
CCCCCC/C=C/CCCCCCCCCC(=O)O- InChIKey
UWHZIFQPPBDJPM-BQYQJAHWSA-N- Molecular formula
- C18H34O2
- Average molar mass
- 282.5 g/mol
- Monoisotopic mass
- 282.25588032
Overview
Vaccenic acid is an octadecenoic acid having a double bond at position 11; and which can occur in cis- or trans- configurations. It is an octadecenoic acid and a straight-chain fatty acid. It is a conjugate acid of a vaccenate(1-).
Names & identifiers
- Preferred name
- Vaccenic Acid
- IUPAC
- (E)-octadec-11-enoic acid
- English name
- trans-11-Octadecenoic acid
- Molecular formula
- C18H34O2
- Molecular weight
- 282.46
Names & synonyms
693-72-1octadec-11-enoic acidVACCENIC ACID(E)-Octadec-11-enoic acid11E-octadecenoic acid11-Octadecenoic acid, (E)-GQ72OGU4EVCHEBI:28727CHEBI:36023DTXSID30100934118:1E(N-7)RefChem:933888
Show more names
trans-11-Octadecenoic acid, Isomer of oleic acid11-TRANS-OCTADECENOIC ACIDC08367trans-11-OctTRANS18:1ACIDSrans-vaccenicaci(E)-Vaccenic acid
Fatty Acid 18:1 n-7 transDTXCID60841996Trans-octadec-11-enoic acid 18:1 n-7211-758-9trans-Vaccenic acidtrans-11-Octadecenoic acid11-Octadecenoic acid(11E)-octadec-11-enoic acid
Database identifiers
- CAS
143-25-9、62972-93-4、693-72-1- PubChem CID
- 5281127
- DTXSID
DTXSID301009341- ChEMBL
CHEMBL1236642- ChEBI
CHEBI:36023- UNII
- GQ72OGU4EV
- EC Number
- 211-758-9
- Nikkaji
- J327.304K、J6.936A
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
SpringerMaterials PropertiesOptical coefficient
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point44 °C
Physical DescriptionLiquid
Collision Cross Section174.95 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physicochemical properties
- Melting point
- 44 ℃ · 44℃
- Boiling point
- 397.91 °C · 397.91°C (estimate)
- Density
- 0.8563 · 0.8563
- refractive index
- 1.4472 · 1.4472 (589.3 nm 50℃)
- Flash point
- 113 °C · 113 °C
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Liquid
- pka
- 4.78 · 4.78±0.10(Predicted)
- color
- Clear Colourless
- biological source
- synthetic (organic)
- Merck
- 13 · 13,9965
- InChI
- 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+
- InChIKey
- UWHZIFQPPBDJPM-BQYQJAHWSA-N
- SMILES
- CCCCCC\C=C/CCCCCCCCCC(O)=O
- CAS DataBase Reference
- 693 · 693-72-1(CAS DataBase Reference)
- FDA UNII
- 72 OGU4EV · GQ72OGU4EV
- UNSPSC Code
- 12352211 · 12352211
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 1 · 1
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
Applications
UsesVaccenic Acid is a fatty acid found in Artemia salina that shows antimicrobial activity against a variety of microorganisms except Escherichia coli, Micrococcus luteus and Salmonella enteritidis.
Suppliers67 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
Aladdin Scientific[email protected]
上海诗丹德标准技术服务有限公司021-021-57127007-6622-6622 17621252073 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
ChemeGen 中国18818260767 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海瑞诗化工有限公司86-021-54933292 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海如吉生物科技发展有限公司021-69955236-807 13918189704 · [email protected]
上海跃腾生物技术有限公司021-36031160 13311776681 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
安徽宏瀚研新药业有限公司0551-62626652 19334025048 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海腾渤医药科技有限公司021-54338626 18017892860 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
北京沃凯生物科技有限公司010-62971590 18548936886 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
大连锐盈科技有限公司0411-86907150 15940963210 · [email protected]
上海智乾生物科技有限公司[email protected]
海蔚化学86-21-51086038 · [email protected]
Additional notes
DefinitionChEBI: Vaccenic acid is an octadecenoic acid having a double bond at position 11; and which can occur in cis- or trans- configurations. It is an octadecenoic acid and a straight-chain fatty acid. It is a conjugate acid of a vaccenate(1-).
Related reactions
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Compound notes
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